5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine

C17H30N2S — CID 64847295

IUPAC5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2ccsc2)C(C)(CC)CN1
InChIInChI=1S/C17H30N2S/c1-5-14(3)16-11-19(17(4,6-2)13-18-16)9-7-15-8-10-20-12-15/h8,10,12,14,16,18H,5-7,9,11,13H2,1-4H3
InChIKeyVFMALPFMGAMZQA-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.78
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine

5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64847295) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64847295
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC(C)C1CN(CCc2ccsc2)C(C)(CC)CN1
InChIInChI=1S/C17H30N2S/c1-5-14(3)16-11-19(17(4,6-2)13-18-16)9-7-15-8-10-20-12-15/h8,10,12,14,16,18H,5-7,9,11,13H2,1-4H3
InChIKeyVFMALPFMGAMZQA-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
3-butan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64858412
3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64848260
5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849613
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478
2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847544
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64847295) is 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine is CCC(C)C1CN(CCc2ccsc2)C(C)(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is VFMALPFMGAMZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-14(3)16-11-19(17(4,6-2)13-18-16)9-7-15-8-10-20-12-15/h8,10,12,14,16,18H,5-7,9,11,13H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 294.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64847295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).